1,2-oxazol-5-yl-(8-pyrimidin-5-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone

C16H19N5O4 — CID 134074179

IUPAC1,2-oxazol-5-yl-(8-pyrimidin-5-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone
SMILESO=C(c1ccno1)N1CCOC2(COCCN(c3cncnc3)C2)C1
InChIInChI=1S/C16H19N5O4/c22-15(14-1-2-19-25-14)21-4-6-24-16(10-21)9-20(3-5-23-11-16)13-7-17-12-18-8-13/h1-2,7-8,12H,3-6,9-11H2
InChIKeySSIJCGSIPKVEOQ-UHFFFAOYSA-N
MW345.36 g/mol
LogP0.21
Rot. Bonds2

About 1,2-oxazol-5-yl-(8-pyrimidin-5-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone

1,2-oxazol-5-yl-(8-pyrimidin-5-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone (PubChem CID 134074179) has the molecular formula C16H19N5O4 and a molecular weight of 345.36 g/mol. Its IUPAC name is 1,2-oxazol-5-yl-(8-pyrimidin-5-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone.

Molecular Properties

Compound Name1,2-oxazol-5-yl-(8-pyrimidin-5-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone
PubChem CID134074179
Molecular FormulaC16H19N5O4
Molecular Weight345.36 g/mol
Exact Mass345.14
IUPAC Name1,2-oxazol-5-yl-(8-pyrimidin-5-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone
SMILESO=C(c1ccno1)N1CCOC2(COCCN(c3cncnc3)C2)C1
InChIInChI=1S/C16H19N5O4/c22-15(14-1-2-19-25-14)21-4-6-24-16(10-21)9-20(3-5-23-11-16)13-7-17-12-18-8-13/h1-2,7-8,12H,3-6,9-11H2
InChIKeySSIJCGSIPKVEOQ-UHFFFAOYSA-N
XLogP0.21
TPSA93.82 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1,2-oxazol-5-yl-(8-pyrimidin-5-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone?
The IUPAC name of 1,2-oxazol-5-yl-(8-pyrimidin-5-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone (CID 134074179) is 1,2-oxazol-5-yl-(8-pyrimidin-5-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone.
What is the SMILES notation for 1,2-oxazol-5-yl-(8-pyrimidin-5-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone?
The canonical SMILES for 1,2-oxazol-5-yl-(8-pyrimidin-5-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone is O=C(c1ccno1)N1CCOC2(COCCN(c3cncnc3)C2)C1.
What is the InChIKey of 1,2-oxazol-5-yl-(8-pyrimidin-5-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone?
The InChIKey is SSIJCGSIPKVEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O4/c22-15(14-1-2-19-25-14)21-4-6-24-16(10-21)9-20(3-5-23-11-16)13-7-17-12-18-8-13/h1-2,7-8,12H,3-6,9-11H2.
What are the key properties of 1,2-oxazol-5-yl-(8-pyrimidin-5-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone?
1,2-oxazol-5-yl-(8-pyrimidin-5-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone has a molecular weight of 345.36 g/mol, XLogP of 0.21, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-oxazol-5-yl-(8-pyrimidin-5-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone is sourced from PubChem (CID 134074179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).